Skip to main content
. 2020 May 4;5(19):11115–11122. doi: 10.1021/acsomega.0c01048

Table 1. Intermolecular Contacts Shorter than ∑vdW Radii [Å] in BTTFO·H2Oa.

short contacts distance/Å short contacts distance/Å
O10···N21ib 2.89(3) O7···N10ivd 3.05(3)
N20···N21ib 3.12(3) O6···O8iiid 2.93(3)
N6···N7ic 3.16(4) O10···N1 2.93(3)
N10···N13ic 3.13(4) O9···N19vie 2.99(4)
N10···N14ic 3.02(4) O1···N7iie 3.06(3)
O6···N13ic 3.03(3) O4···N5ive 2.99(4)
N2···N16iid 3.12(4) O3···N13iiie 3.01(3)
N12···N24iiid 3.11(4) O1···O4iiie 2.95(3)
a

∑vdW radii N···O = 3.07 Å, N···N = 3.20 Å, O···O = 3.00 Å.42

b

Short contacts in Figure 4a.

c

Short contacts in Figure 4b.

d

Short contacts in Figure 4c.

e

Short contacts in Figure 4d. Symmetry operators: i = −1 + x, y, z; ii = 1 – x, 0.5 + y, 0.5 – z; iii = 2 – x, 0.5 + y, 0.5 – z; iv = 2 – x, −0.5 + y, 0.5 – z; v = 0.5 + x, 0.5 – y, −z; vi = −0.5 + x, 0.5 – y, −z.